摘要
目的运用网络药理学和分子对接技术探讨参苓白术散异病同治的作用机制。方法在中药系统药理学数据库与分析平台中挖掘参苓白术散的有效成分和作用靶点。在GeneCards数据库和OMIM数据库中获取2种疾病的靶点,利用Venny软件与参苓白术散成分的靶点取交集,用Cytoscape软件构建中药-活性成分-共同靶点网络图。将STRING数据库中PPI结果在Cytoscape软件中可视化。用DAVID数据库对共同基因进行GO功能和KEGG通路分析,将分子和晶体结构通过Sybyl-X软件对接。结果获得参苓白术散的关键活性成分3个,异病同治的核心靶点10个,GO功能分析结果508条,涉及109个信号通路。分子对接显示分子和晶体均具有对接活性。结论参苓白术散的药理成分通过多靶点、多途径治疗慢性肾小球肾炎和抑郁症,且多个成分表现出良好的活性。
Objective To investigate the mechanism of the simultaneous treatment of chronic glomerulonephritis and depression with Shenling Baizhu powder using network pharmacology and molecular docking technologies. Methods The effective components and actionable targets of Shenling Baizhu powder were mined in traditional Chinese medicine systems pharmacology database and analysis platform(TCMSP). Targets of chronic glomerulonephritis and depression were obtained using the GeneCards and OMIM databases. The intersection of the targets of Shenling Baizhu powder and Venny software was determined. A network diagram of common targets of active ingredients from traditional Chinese medicine was constructed,and interactions between proteins in the string database were visualized using Cytoscape software. The DAVID database analyzed gene ontology(GO) functions,KEGG pathway analysis revealed common genes,and molecular docking,and crystal structure analyses were performed using Sybyl-x software. Results Three key active components of Shenling Baizhu powder,10 core targets for simultaneous treatments of different diseases,and 508 GO functions involving 109 signal pathways were identified. The molecular docking activity of molecules and crystals was determined. Conclusion Shenling Baizhu powder can treat chronic glomerulonephritis and depression through multiple targets and channels. Most active components of the powder exhibit good activity.
作者
郑舒文
王柏森
李志明
王圣治
ZHENG Shuwen;WANG Baisen;LI Zhiming;WANG Shengzhi(Graduate School of Liaoning University of Traditional Chinese Medicine,Shenyang 110847,China;Department of Nephrology,Affiliated Hospital of Liaoning University of Traditional Chinese Medicine,Shenyang 110032,China)
出处
《中国医科大学学报》
CAS
CSCD
北大核心
2022年第9期804-809,共6页
Journal of China Medical University
基金
辽宁省教育厅科学技术研究计划(L202060)
沈阳市科学技术计划公共卫生研发专项(20-205-4-030)。
关键词
参苓白术散
异病同治
慢性肾小球肾炎
抑郁症
作用机制
Shenling Baizhu powder
simultaneous treatment of different diseases
chronic glomerulonephritis
depression
action mechanism
